Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.57 |
| ▸ | HTT | P42858 | 5/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.50 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.48 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4017733 | 0.85 | HTT (0.60) | HTTMAPTKMT2ANPSR1CYP1A2 | |
| SCHEMBL2531256 | 0.78 | HTT (0.78) | HTTMAPTKMT2ANPSR1CYP1A2 | |
| SCHEMBL6281045 | 0.77 | HTT (0.66) | HTTMAPTKMT2ANPSR1CYP1A2 | |
| SCHEMBL900306 | 0.76 | HTT (0.75) | CYP17A1HTTMAPTKMT2ANPSR1 | |
| SCHEMBL30402227 | 0.76 | HTT (0.88) | HTTMAPTKMT2ANPSR1POLB | |
| SCHEMBL3419279 | 0.76 | HTT (0.88) | HTTMAPTKMT2ANPSR1POLB | |
| Hydrochloric Acid SCHEMBL7975855 | 0.75 | HTT (0.72) | CYP17A1HTTMAPTKMT2ANPSR1 | |
| SCHEMBL10053918 | 0.75 | HTT (0.72) | HTTFGFR1SMN1; SMN2 | |
| SCHEMBL18731746 | 0.75 | HTT (0.79) | HTTMAPTKMT2ANPSR1CYP1A2 | |
| SCHEMBL900209 | 0.75 | CYP17A1 (0.87) | CYP17A1CYP1A2FGFR1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2621913-A1 | SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE COMPOUNDS USEFUL AS CYP17 MODULATORS | Bristol-Myers Squibb Company (US) | 2013-08-07 | — | — | EP | claimed |
| WO-2012044537-A1 | SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE COMPOUNDS USEFUL AS CYP17 MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-04-05 | — | — | WO | claimed |